3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

C18H25N3O2 — CID 53140477

IUPAC3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
SMILESCCn1cc2c3c(cccc31)CN(C(=O)NCCCOC)CC2
InChIInChI=1S/C18H25N3O2/c1-3-20-12-15-8-10-21(18(22)19-9-5-11-23-2)13-14-6-4-7-16(20)17(14)15/h4,6-7,12H,3,5,8-11,13H2,1-2H3,(H,19,22)
InChIKeyHNAXJBXBYGSLBE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds5

About 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 53140477) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
PubChem CID53140477
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
SMILESCCn1cc2c3c(cccc31)CN(C(=O)NCCCOC)CC2
InChIInChI=1S/C18H25N3O2/c1-3-20-12-15-8-10-21(18(22)19-9-5-11-23-2)13-14-6-4-7-16(20)17(14)15/h4,6-7,12H,3,5,8-11,13H2,1-2H3,(H,19,22)
InChIKeyHNAXJBXBYGSLBE-UHFFFAOYSA-N
XLogP2.77
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethyl)-N-(2-phenylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140414
N-benzyl-3-ethyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140475
3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140415
2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone
CID 53140198
1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]-4-phenylbutan-1-one
CID 53140207
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140379
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-2-oxoacetamide
CID 108506402
N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142
N-(3-methoxypropyl)-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947012
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045275
2-(3-methoxypropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260999
methyl (2S)-2-[(3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl)amino]propanoate
CID 95094681

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The IUPAC name of 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (CID 53140477) is 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is CCn1cc2c3c(cccc31)CN(C(=O)NCCCOC)CC2.
What is the InChIKey of 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
The InChIKey is HNAXJBXBYGSLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-20-12-15-8-10-21(18(22)19-9-5-11-23-2)13-14-6-4-7-16(20)17(14)15/h4,6-7,12H,3,5,8-11,13H2,1-2H3,(H,19,22).
What are the key properties of 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?
3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 53140477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).